Geometry & MOs

Info

ID:	328263
PubChem CID:	126700434
Reduced:	F2N3O6C18H23 (1)
Stoich.:	A2B3C6D18E23 (1)
Weight, g/mol:	562.265216
ΔH_f, kcal/mol:	-331.21
Dipole, Da:	5.54
IP(EA), eV:	-10.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[(2E)-cyclooct-2-en-1-yl]oxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CC/C=C/C(CC1)OC(=O)NC2=NC(=O)N(C=C2)[C@H]3C(C([C@H](O3)CO)O)(F)F

DOS

IR

Vibrations